4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one

C11H11BrN4O — CID 106186768

IUPAC4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one
SMILESNc1nc2ccc(Br)cc2n1C1CNC(=O)C1
InChIInChI=1S/C11H11BrN4O/c12-6-1-2-8-9(3-6)16(11(13)15-8)7-4-10(17)14-5-7/h1-3,7H,4-5H2,(H2,13,15)(H,14,17)
InChIKeyHITVVOJXHUZKGU-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.44
Rot. Bonds1

About 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one

4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one (PubChem CID 106186768) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one
PubChem CID106186768
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one
SMILESNc1nc2ccc(Br)cc2n1C1CNC(=O)C1
InChIInChI=1S/C11H11BrN4O/c12-6-1-2-8-9(3-6)16(11(13)15-8)7-4-10(17)14-5-7/h1-3,7H,4-5H2,(H2,13,15)(H,14,17)
InChIKeyHITVVOJXHUZKGU-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one (CID 106186768) is 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one is Nc1nc2ccc(Br)cc2n1C1CNC(=O)C1.
What is the InChIKey of 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one?
The InChIKey is HITVVOJXHUZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-6-1-2-8-9(3-6)16(11(13)15-8)7-4-10(17)14-5-7/h1-3,7H,4-5H2,(H2,13,15)(H,14,17).
What are the key properties of 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one?
4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one has a molecular weight of 295.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 106186768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).